Literature DB >> 16712002

"Magic melters" have geometrical origin.

Kavita Joshi1, Sailaja Krishnamurty, D G Kanhere.   

Abstract

Recent experimental reports bring out extreme size sensitivity in the heat capacities of gallium and aluminum clusters. In the present work we report results of our extensive ab initio molecular dynamical simulations on Ga30 and Ga31, the pair which has shown rather dramatic size sensitivity. We trace the origin of this size sensitive heat capacities to the relative order in their respective ground state geometries. Such an effect of nature of the ground state on the characteristics of heat capacity is also seen in case of small gallium and sodium clusters, indicating that the observed size sensitivity is a generic feature of small clusters.

Entities:  

Year:  2006        PMID: 16712002     DOI: 10.1103/PhysRevLett.96.135703

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Mapping the Finite-Temperature Behavior of Conformations to Their Potential Energy Barriers: Case Studies on Si6B and Si5B Clusters.

Authors:  Asma H Maneri; Chandrodai Pratap Singh; Ravi Kumar; Ashakiran Maibam; Sailaja Krishnamurty
Journal:  ACS Omega       Date:  2022-02-10

2.  Origin and nature of spontaneous shape fluctuations in "small" nanoparticles.

Authors:  Ying Yang; Hao Zhang; Jack F Douglas
Journal:  ACS Nano       Date:  2014-07-11       Impact factor: 15.881

  2 in total

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